add_start_from(core::Real x, core::Real y, core::Real z) | protocols::ligand_docking::LigandDockProtocol | |
append_ligand_docking_scores(core::pose::Pose const &before, core::pose::Pose const &after, core::scoring::ScoreFunctionCOP scorefxn, std::map< std::string, core::Real > &scores, protocols::toolbox::match_enzdes_util::EnzConstraintIOCOP constraint_io=nullptr) const | protocols::ligand_docking::LigandDockProtocol | |
apply(core::pose::Pose &pose) override | protocols::ligand_docking::LigandDockProtocol | virtual |
bb_interface_cutoff_ | protocols::ligand_docking::LigandBaseProtocol | protected |
choose_desired_centroid(core::pose::Pose const &pose, core::Size jump_id, utility::vector1< core::Vector >) | protocols::ligand_docking::LigandBaseProtocol | protected |
classic_protocol(core::pose::Pose &pose, int jump_id, core::scoring::ScoreFunctionOP scorefxn, protocols::moves::MonteCarloOP monteCarlo, core::Size num_cycles, core::Size repack_every_Nth) const | protocols::ligand_docking::LigandDockProtocol | private |
clear_info() | protocols::moves::Mover | inlinevirtual |
clone() const | protocols::moves::Mover | virtual |
create() | protocols::moves::Mover | virtual |
Filters_map typedef | protocols::moves::Mover | |
find_interface_backbone(core::pose::Pose const &pose, int jump_id, core::Real cutoff_dist, utility::vector1< bool > &is_interface, utility::vector1< bool > &is_around_interface) const | protocols::ligand_docking::LigandBaseProtocol | protected |
find_interface_rsds(core::pose::Pose const &pose, int jump_id, core::Real padding, ObjexxFCL::FArray1D_bool &is_interface) const | protocols::ligand_docking::LigandBaseProtocol | protected |
fresh_instance() const | protocols::moves::Mover | virtual |
get_additional_output() | protocols::moves::Mover | virtual |
get_current_job() const | protocols::moves::Mover | |
get_current_tag() const | protocols::moves::Mover | inline |
get_input_pose() const | protocols::moves::Mover | |
get_last_move_status() const | protocols::moves::Mover | |
get_ligand_id(core::pose::Pose const &pose) | protocols::ligand_docking::LigandBaseProtocol | static |
get_ligand_id(core::pose::Pose const &pose, core::Size jump_id) | protocols::ligand_docking::LigandBaseProtocol | static |
get_ligand_jump_id(core::pose::Pose const &pose) | protocols::ligand_docking::LigandBaseProtocol | static |
get_name() const override | protocols::ligand_docking::LigandDockProtocol | virtual |
get_native_pose() const | protocols::moves::Mover | |
get_non_bb_clashing_rotamers(core::pose::Pose const &pose, core::Size seqpos, core::scoring::ScoreFunctionCOP scofx, utility::vector1< core::conformation::ResidueCOP > &accepted_rotamers) const | protocols::ligand_docking::LigandBaseProtocol | |
get_scorefxn() | protocols::ligand_docking::LigandBaseProtocol | |
get_scorefxn() const | protocols::ligand_docking::LigandBaseProtocol | |
get_self_ptr() const | protocols::moves::Mover | inline |
get_self_ptr() | protocols::moves::Mover | inline |
get_self_weak_ptr() const | protocols::moves::Mover | inline |
get_self_weak_ptr() | protocols::moves::Mover | inline |
get_type() const | protocols::moves::Mover | inline |
hard_scorefxn_ | protocols::ligand_docking::LigandBaseProtocol | protected |
info() | protocols::moves::Mover | inlinevirtual |
info() const | protocols::moves::Mover | inlinevirtual |
last_proposal_density_ratio() | protocols::moves::Mover | inlinevirtual |
ligand_chi_stddev_deg_ | protocols::ligand_docking::LigandDockProtocol | private |
ligand_protonation_ | protocols::ligand_docking::LigandDockProtocol | private |
ligand_shear_moves_ | protocols::ligand_docking::LigandDockProtocol | private |
ligand_tether_stddev_Ang_ | protocols::ligand_docking::LigandDockProtocol | private |
ligand_torsion_restraints_ | protocols::ligand_docking::LigandDockProtocol | private |
LigandBaseProtocol() | protocols::ligand_docking::LigandBaseProtocol | |
LigandDockProtocol() | protocols::ligand_docking::LigandDockProtocol | |
LigandDockProtocol(std::string const &protocol, bool const minimize_ligand, bool const minimize_backbone, bool const tether_ligand, bool const mutate_same_name3, core::Real const ligand_chi_stddev_deg, core::Real const protein_CA_stddev_Ang, core::Real const ligand_tether_stddev_Ang_=-1, core::Size const ligand_shear_moves=0) | protocols::ligand_docking::LigandDockProtocol | |
LigandDockProtocol(LigandDockProtocol const &)=delete | protocols::ligand_docking::LigandDockProtocol | private |
make_dockmcm_mover(core::pose::Pose const &pose, int jump_id, protocols::moves::MoverOP repack_mover, protocols::moves::MoverOP rigbod_mover, core::kinematics::MoveMapOP movemap, core::scoring::ScoreFunctionOP scorefxn, protocols::moves::MonteCarloOP monteCarlo) const | protocols::ligand_docking::LigandDockProtocol | private |
make_movemap(core::pose::Pose const &pose, core::Size jump_id, core::Real sc_padding, bool include_all_rsds, bool include_backbone, bool include_ligands, bool include_water) const | protocols::ligand_docking::LigandBaseProtocol | protected |
make_packer_task(core::pose::Pose const &pose, ObjexxFCL::FArray1D_bool const &allow_repack, bool ligand_protonation) const | protocols::ligand_docking::LigandBaseProtocol | protected |
make_packer_task(core::pose::Pose const &pose, int jump_id, core::Real sc_padding, bool include_all_rsds, bool ligand_protonation) const | protocols::ligand_docking::LigandBaseProtocol | protected |
make_packer_task_ligand_only(core::pose::Pose const &pose, int jump_id, bool ligand_protonation) const | protocols::ligand_docking::LigandBaseProtocol | protected |
make_tweaked_scorefxn(std::string const &weights_tag, bool estat_exclude_protein, bool estat_upweight, bool hbonds_downweight) | protocols::ligand_docking::LigandBaseProtocol | protected |
minimize_all_rsds_ | protocols::ligand_docking::LigandDockProtocol | private |
minimize_backbone_ | protocols::ligand_docking::LigandDockProtocol | private |
minimize_ligand_ | protocols::ligand_docking::LigandDockProtocol | private |
minimize_water_ | protocols::ligand_docking::LigandDockProtocol | private |
move_ligand_to_desired_centroid(core::pose::Pose &pose, core::Size jump_id, utility::vector1< core::Vector > start_from_pts) | protocols::ligand_docking::LigandBaseProtocol | protected |
move_ligand_to_desired_centroid(core::pose::Pose &pose, core::Size jump_id, core::Vector desired_centroid) | protocols::ligand_docking::LigandBaseProtocol | protected |
Mover() | protocols::moves::Mover | |
Mover(std::string const &type_name) | protocols::moves::Mover | |
mover_is_unpublished() const | protocols::moves::Mover | virtual |
mover_provides_citation_info() const | protocols::moves::Mover | virtual |
name() | protocols::moves::Mover | inlinestatic |
optimize_orientation3(core::pose::Pose &pose, int jump_id, core::Size lig_id) | protocols::ligand_docking::LigandDockProtocol | private |
parse_my_tag(TagCOP tag, basic::datacache::DataMap &data, Filters_map const &filters, Movers_map const &movers, Pose const &pose) | protocols::moves::Mover | virtual |
Pose typedef | protocols::moves::Mover | |
PoseCOP typedef | protocols::moves::Mover | |
protein_CA_stddev_Ang_ | protocols::ligand_docking::LigandDockProtocol | private |
protocol_ | protocols::ligand_docking::LigandDockProtocol | private |
provide_authorship_info_for_unpublished() const | protocols::moves::Mover | virtual |
provide_citation_info() const | protocols::moves::Mover | virtual |
random_conformer(core::pose::Pose &pose) const | protocols::ligand_docking::LigandDockProtocol | private |
register_options() | protocols::moves::Mover | inlinestatic |
reinitialize_for_each_job() const | protocols::moves::Mover | virtual |
reinitialize_for_new_input() const | protocols::moves::Mover | virtual |
reorder_foldtree_around_mobile_regions(core::pose::Pose &pose, core::Size const &jump_id, utility::vector1< bool > const &mobile_bb, core::Size const &lig_id) const | protocols::ligand_docking::LigandBaseProtocol | |
repack_all_rsds_ | protocols::ligand_docking::LigandDockProtocol | private |
reset_status() | protocols::moves::Mover | |
restrain_ligand_chis(core::pose::Pose &pose) | protocols::ligand_docking::LigandDockProtocol | private |
restrain_ligand_nbr_atom(core::pose::Pose &pose, core::Size lig_id, core::Real stddev_Angstroms) const | protocols::ligand_docking::LigandBaseProtocol | protected |
restrain_protein_Calphas(core::pose::Pose &pose, utility::vector1< bool > const &is_restrained, core::scoring::func::FuncOP restr_func) const | protocols::ligand_docking::LigandBaseProtocol | |
rottrials_all_rsds_ | protocols::ligand_docking::LigandDockProtocol | private |
sc_interface_padding_ | protocols::ligand_docking::LigandBaseProtocol | protected |
scorefxn_ | protocols::ligand_docking::LigandBaseProtocol | protected |
set_current_job(protocols::jobdist::BasicJobCOP job) | protocols::moves::Mover | |
set_current_tag(std::string const &new_tag) | protocols::moves::Mover | inlinevirtual |
set_input_pose(PoseCOP pose) | protocols::moves::Mover | virtual |
set_last_move_status(MoverStatus status) | protocols::moves::Mover | protected |
set_native_pose(PoseCOP pose) | protocols::moves::Mover | virtual |
set_type(std::string const &setting) | protocols::moves::Mover | inline |
setup_bbmin_foldtree(core::pose::Pose &pose, core::Size const &jump_id, core::Real cutoff_dist, core::Real stddev_Angstroms) | protocols::ligand_docking::LigandBaseProtocol | protected |
shared_from_this() | protocols::ligand_docking::LigandDockProtocol | inline |
shear_min_protocol(core::pose::Pose &pose, int jump_id, core::scoring::ScoreFunctionOP scorefxn, protocols::moves::MonteCarloOP monteCarlo, core::Size num_cycles) const | protocols::ligand_docking::LigandDockProtocol | private |
show(std::ostream &output=std::cout) const | protocols::moves::Mover | virtual |
soft_scorefxn_ | protocols::ligand_docking::LigandBaseProtocol | protected |
start_from_pts_ | protocols::ligand_docking::LigandDockProtocol | private |
Strings typedef | protocols::moves::Mover | |
TagCOP typedef | protocols::moves::Mover | |
test_move(Pose &pose) | protocols::moves::Mover | inlinevirtual |
tether_ligand_ | protocols::ligand_docking::LigandDockProtocol | private |
type(const std::string &type_in) | protocols::moves::Mover | inline |
type() const | protocols::moves::Mover | inline |
unboundrot_ | protocols::ligand_docking::LigandBaseProtocol | protected |
use_soft_rep_ | protocols::ligand_docking::LigandBaseProtocol | protected |
~LigandBaseProtocol() override | protocols::ligand_docking::LigandBaseProtocol | |
~LigandDockProtocol() override | protocols::ligand_docking::LigandDockProtocol | |